N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C13H12ClF3N4O — CID 45154065

IUPACN-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H12ClF3N4O/c1-7-5-10(13(15,16)17)20-21(7)8(2)12(22)19-11-4-3-9(14)6-18-11/h3-6,8H,1-2H3,(H,18,19,22)
InChIKeyNPQOXOYDVTWSDT-UHFFFAOYSA-N
MW332.71 g/mol
LogP3.46
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 45154065) has the molecular formula C13H12ClF3N4O and a molecular weight of 332.71 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID45154065
Molecular FormulaC13H12ClF3N4O
Molecular Weight332.71 g/mol
Exact Mass332.07
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H12ClF3N4O/c1-7-5-10(13(15,16)17)20-21(7)8(2)12(22)19-11-4-3-9(14)6-18-11/h3-6,8H,1-2H3,(H,18,19,22)
InChIKeyNPQOXOYDVTWSDT-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 45154065) is N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(C(F)(F)F)nn1C(C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is NPQOXOYDVTWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O/c1-7-5-10(13(15,16)17)20-21(7)8(2)12(22)19-11-4-3-9(14)6-18-11/h3-6,8H,1-2H3,(H,18,19,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 332.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 45154065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).